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canSAR1965727
FEATURES
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NAMES
    SMILES
    O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccco1)C1CCS(=O)(=O)C1
    InChI
    InChI=1S/C17H18N2O7S/c20-17(11-26-16-6-2-1-5-15(16)19(21)22)18(10-14-4-3-8-25-14)13-7-9-27(23,24)12-13/h1-6,8,13H,7,9-12H2
    MOLECULAR FORMULA
    C17H18N2O7S
    CROSS REFERENCES
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    canSAR1965727

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.08
    AlogP 1.78
    HBond donors 0
    HBond acceptors 9
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1965727.